SCHEMBL8410642

SCHEMBL8410642

CCCCCCCC1CCC(c2ccc(F)cc2)(C2(c3ccc(F)cc3)CCC(CCCCCC)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.39
CYP1A2 P05177 2/20 0.38
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
SLC6A2 P23975 1/20 0.36
HSD11B1 P28845 2/20 0.35
PSMD14 O00487 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MMP2 P08253 1/20 0.35
MC4R P32245 1/20 0.35
RAD52 P43351 1/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 2/20 0.34
TP53 P04637 2/20 0.33
POLB P06746 1/20 0.33
BCHE P06276 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
S1PR3 Q99500 1/20 0.32
HTR7 P34969 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4801004 0.83 CYP1A2 (0.45) GRM2CYP1A2SLC6A4SLC6A3SLC6A2
SCHEMBL4800998 0.83 CYP1A2 (0.45) GRM2CYP1A2SLC6A4SLC6A3SLC6A2
SCHEMBL8726233 0.81 HSD11B1 (0.40) CYP1A2SLC6A4SLC6A3SLC6A2HSD11B1
SCHEMBL7507869 0.81 MEN1 (0.47) GRM2HSD11B1MAPTTP53POLB
SCHEMBL9180980 0.79 SLC6A3 (0.40) GRM2CYP1A2SLC6A4SLC6A3SLC6A2
SCHEMBL7511127 0.79 MEN1 (0.48) HSD11B1MAPTTP53POLBCYP3A4
SCHEMBL11231469 0.77 SLC6A4 (0.40) GRM2SLC6A4TP53
SCHEMBL7757750 0.75 MAOB (0.48) GRM2SLC6A4SLC6A3SLC6A2PSMD14
SCHEMBL11298227 0.75 SPHK1 (0.48) GRM2MAPTGAA
SCHEMBL11298231 0.75 SPHK1 (0.48) GRM2MAPTGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0394417-B2 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1999-08-04 EP disclosed
US-5876626-A HIGH SPEED SWITCHING MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-03-02 US disclosed
US-5387369-A With specified mixture of components; short switching times MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
EP-0366985-B1 Super twist liquid crystal display MERCK PATENT GMBH (DE) 1994-04-06 EP disclosed